3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

C11H18N4O2S — CID 46993792

IUPAC3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCCC1(CO)CCCN(C(=O)Nc2nncs2)C1
InChIInChI=1S/C11H18N4O2S/c1-2-11(7-16)4-3-5-15(6-11)10(17)13-9-14-12-8-18-9/h8,16H,2-7H2,1H3,(H,13,14,17)
InChIKeyIZBIYQOSNROPDP-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.55
Rot. Bonds3

About 3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 46993792) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
PubChem CID46993792
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCCC1(CO)CCCN(C(=O)Nc2nncs2)C1
InChIInChI=1S/C11H18N4O2S/c1-2-11(7-16)4-3-5-15(6-11)10(17)13-9-14-12-8-18-9/h8,16H,2-7H2,1H3,(H,13,14,17)
InChIKeyIZBIYQOSNROPDP-UHFFFAOYSA-N
XLogP1.55
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46982148
3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63138210
3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 146128739
4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 47215175
3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46997326
4-(2-hydroxyethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46994674
3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide
CID 136533677
[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70720563
4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028070
(3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 94194613
1-(3,3-diethylpiperidin-1-yl)ethanone
CID 89177702
(4aR,8aS)-N-(1,3,4-thiadiazol-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 95132756

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (CID 46993792) is 3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is CCC1(CO)CCCN(C(=O)Nc2nncs2)C1.
What is the InChIKey of 3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is IZBIYQOSNROPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-2-11(7-16)4-3-5-15(6-11)10(17)13-9-14-12-8-18-9/h8,16H,2-7H2,1H3,(H,13,14,17).
What are the key properties of 3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46993792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).